Use of a flowing afterglow SIFT apparatus to study the reactions of ions with organic radicals

Journal of Physical Chemistry A

Volumn 108, Issue 45, 2004, Pages 9733-9741

  Zhang, Xu ^a   Kato, Shuji ^a   Bierbaum, Veronica M ^a   Nimlos, Mark R ^a,b   Ellison, G Barney ^a  

^a UNIVERSITY OF COLORADO   (United States)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC RADICALS; FLOWING AFTERGLOW SELECTED ION FLOW TUBE (SIFT); ORGANIC RADICALS; OXYACETYLENE FLAMES;

ATMOSPHERIC CHEMISTRY; ELECTRIC DISCHARGES; INFRARED RADIATION; IONIZATION; IONS; NOZZLES; POLYCYCLIC AROMATIC HYDROCARBONS; PROTONS;

RATE CONSTANTS;

EID: 9144237585     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047792u     Document Type: Article

References (73)

1. Zhang, X.; Bierbaum, V. M.; Ellison, G. B.; Kato, S. J. Chem. Phys. 2004, 120, 3531.
2. Ikezoe, Y.; Matsuoka, S.; Takebe, M.; Viggiano, A. Gas Phase Ion-Molecule Reaction Rate Constants Through 1986; Maruzen: Tokyo, 1987.
3. Bowers, M. T. Gas Phase Ion Chemistry; Academic Press: New York, 1979; Vol. I.
4. Bowers, M. T. Gas Phase Ion Chemistry; Academic Press: New York, 1979; Vol. II.
5. Bowers, M. T. Gas Phase Ion Chemistry; Academic Press: New York, 1984; Vol. III.
6. The Encyclopedia of Mass Spectrometry; Gross, M. L., Caprioli, R., Eds.; Elsevier: Amsterdam, 2003; Vol. 1.
7. Villalta, P. W.; Huey, L. G.; Howard, C. J. J. Phys. Chem. 1995, 99, 12829.
8. Scholtens, K. W.; Messer, B. M.; Cappa, C. D.; Elrod, M. J. J. Phys. Chem. A 1999, 103, 4378.
9. Hanson, D. R.; Orlando, J. J.; Nozière, B.; Kosciuch, E. Int. J. Mass Spectrom. (submitted).
10. Born, M.; Ingemann, S.; Nibbering, N. M. M. Mass Spectrom. Rev. 1997, 16, 181.
11. Kenttämaa, H. I. Distonic Radical Cations. In The Encyclopedia of Mass Spectroscopy; Armentrout, P. B., Ed.; Elsevier: Amsterdam, 2003; Vol. 1, p 619.
12. Hayhurst, A. N.; Kittelson, D. B. Combust. Flame 1978, 31, 37.
13. The Diffuse Interstellar Bands; Tielens, A. G. G. M., Snow, T. P., Eds.; Kluwer Academic: Dordrecht, 1995.
14. Salama, F.; Galazutdinov, G. A.; Krelowski, J.; Allamandola, L. J.; Musaev, F. A. Astrophys. J. 1999, 526, 265.
15. Sloan, G. C.; Hayward, T. L.; Allamandola, L. J.; Bregman, J. D.; DeVito, B.; Hudgins, D. M. Astrophys. J. 1999, 513, L65.
16. McCarthy, M. C.; Thaddeus, P. Chem. Soc. Rev. 2001, 30, 177.
17. Le Page, V.; Lee, H. S.; Bierbaum, V. M.; Snow, T. P. NASA Conference Publication 1996, 3343, 125.
18. Demirev, P. A. Rapid Commun. Mass Spectrom. 2000, 14, 111.
19. Barckholtz, C.; Snow, T. P.; Bierbaum, V. M. Astrophys. J. 2001, 547, L171.
20. Blush, J. A.; Clauberg, H.; Kohn, D. W.; Minsek, D. W.; Zhang, X.; Chen, P. Acc. Chem. Res. 1992, 25, 385.
21. Van Doren, J. M.; Barlow, S. E.; DePuy, C. H.; Bierbaum, V. M. Int. J. Mass Spectrom. Ion Processes 1987, 81, 85.
22. Zhang, X.; Friderichsen, A. V.; Nandi, S.; Ellison, G. B.; David, D. E.; McKinnon, J. T.; Lindeman, T. G.; Dayton, D. C.; Nimlos, M. R. Rev. Sci. Instrum. 2003, 74, 3077.
23. Kato, S.; Frost, M. J.; Bierbaum, V. M.; Leone, S. R. Rev. Sci. Instrum. 1993, 64, 2808.
24. Gilbert, T.; Fischer, I.; Chen, P. J. Chem. Phys. 2000, 113, 561.
25. A more recent measurement reports 8.133 ± 0.001 eV and the small discrepancy remains unresolved. [Liang, C.; Chen, C.; Wei, C.; Chen, Y. J. Chem. Phys. 2002, 116, 4162].
26. Zhang, X.; Chen, P. J. Am. Chem. Soc. 1992, 114, 3147.
27. Unless otherwise specified, all thermochemical values have been taken or derived from NIST Chemistry Webbook, NIST Standard Reference Database Number 69; March, 2003 release and references therein.
28. Radziszewski, J. G.; Hess, B. A., Jr.; Zahradnik, R. J. Am. Chem. Soc. 1992, 114, 52.
29. Jona, P.; Gussoni, M.; Zerbi, G. J. Phys. Chem. 1981, 85, 2210. The vibrational frequencies for HCC-CCH come from the NIST Chemistry Webbook.
30. Jona, P.; Gussoni, M.; Zerbi, G. J. Phys. Chem. 1981, 85, 2210. The vibrational frequencies for HCC-CCH come from the NIST Chemistry Webbook.
31. Stepanian, S. G.; Reva, I. D.; Radchenko, E. D.; Sheina, G. G. Vib. Spectrosc. 1996, 11, 123.
32. Andrews, L.; Johnson, G. L.; Davis, S. R. J. Phys. Chem. 1985, 89, 1706.
33. Friderichsen, A. V.; Radziszewski, J. G.; Nimlos, M. R.; Winter, P. R.; Dayton, D. C.; David, D. E.; Ellison, G. B. J. Am. Chem. Soc. 2001, 123, 1977.
34. Nandi, S.; Arnold, P. A.; Carpenter, B. K.; Nimlos, M. R.; Dayton, D. C.; Ellison, G. B. J. Phys. Chem. A 2001, 105, 7514.
35. Near the beginning of the SIFT reaction flow tube (20-30 cm), the ion/He flow is turbulent. Further downstream, the ion/He flow becomes laminar. Injecting the radical/He pulse into the turbulent region causes the mixing of the radicals and the ions to be relatively fast.
36. Bierbaum, V. M. In The Encyclopedia of Mass Spectrometry; Armentrout, P. B., Ed.; Elsevier: Amsterdam, 2003; Vol. 1, p 98.
37. Miller, D. R. In Atomic and Molecular Beam Methods; Scoles, G., Ed.; Oxford University: New York, 1988; Vol. 1.
38. Liepmann, H. W.; Roshko, A. Elements of Gasdynamics; Wiley: New York, 1957.
39. In fact, the packet (or ion/radical reaction zone) is not plug shaped, since the initial section of the reaction flow tube is characterized by turbulent flow. Downstream, the packet shape will be affected by the parabolic velocity profile of the laminar He flow. The exact shape and volume of the packet is difficult to calculate.
40. nd law of diffusion to calculate the diffusion distance for the radicals in the packet (see F. M. White, Heat and Mass Transfer; Chapter 11 and Appendices L and M). After the 10 ms transit time, the packet has expanded by about 3 cm in length. The loss of inert radicals (such as allyl) at the wall following radial diffusion will be small.
41. White, P.M. Heat and Mass Transfer; Addison-Wesley: New York City, 1988.
42. Increasing the duty cycle will increase the product ion signal intensity. An increased duty cycle requires an increase in the repetition rate of the pulsed valve for the nozzle. However, since at high nozzle temperatures the pulse width becomes unstable when the frequency of the pulsed valve is high, we used the repetition rate of 20-40 Hz in our experiment to have a stable pulse width. Improving the stability of the pulse width at high frequency is in progress.
43. Upschulte, B. L.; Shul, R. J.; Passarella, R.; Keesee, R. G.; Castleman, A. W., Jr. Int. J. Mass Spectrom. Ion Processes 1987, 75, 27. The initial section of the flow tube (20-30 cm in length) is actually turbulent flow. However, the total reaction time will not be significantly affected by this short section.
44. Hunter, E. P. L.; Lias, S. G. J. Phys. Chem. Ref. Data 1998, 27, 413.
45. nd ed.; Chapman and Hall: New York, 1986.
46. Traeger, J. C. Int. J. Mass Spectrom. Ion Processes 1984, 58, 259.
47. Blanksby, S. J.; Ellison, G. B. Acc. Chem. Res. 2003, 36, 255.
48. th edition; Lide, D. R., Ed.
49. -.
50. Fehsenfeld, F. C. Associative Detachment. In Interactions Between Ions and Molecules; Ausloos, P., Ed.; Plenum; New York, 1975; p 387.
51. Rienstra-Kiracofe, J. C.; Tschumper, G. S.; Schaefer, H. F., III; Nandi, S.; Ellison, G. B. Chem. Rev. 2002, 102, 231.
52. Kato, S.; de Gouw, J. A.; Lin, C. D.; Bierbaum, V. M.; Leone, S. R. J. Chem. Phys. 1996, 105, 5455. See Lipeles, M. J. Chem. Phys. 1969, 51, 1252.
53. Kato, S.; de Gouw, J. A.; Lin, C. D.; Bierbaum, V. M.; Leone, S. R. J. Chem. Phys. 1996, 105, 5455. See Lipeles, M. J. Chem. Phys. 1969, 51, 1252.
54. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
55. Rosenbaum, N. H.; Owrutsky, J. C.; Tack, L. M.; Saykally, R. J. J. Chem. Phys. 1986, 84, 5308.
56. Nicholls, R. W. J. Res. Natl. Bur. Stand. A 1961, 65A, 451.
57. Guo, Y.; Grabowski, J. J. J. Am. Chem. Soc. 1991, 113, 5923.
58. Robaugh, D.; Tsang, W. J. Phys. Chem. 1986, 90, 5363.
59. Tsang, W. Heats of Formation of Organic Free Radicals by Kinetic Methods. In Energetics of Organic Free Radicals; Simoes, J. A. M., Greenberg, A., Liebman, J. F., Eds.; Blackie Academic: London, 1996; p 22.
60. Sergeev, Y. L.; Akopyan, M. E.; Vilesov, F. I. Opt. Spektrosk. 1972, 32, 230.
61. 5COOH + HCl.
62. Gronert, S.; DePuy, C. H. J. Am. Chem. Soc. 1989, 111, 9253.
63. Kato, S. et al., in preparation.
64. -.
65. Bernasconi, C. F.; Wenzel, P. J.; Keeffe, J. R.; Gronert, S. J. Am. Chem. Soc. 1997, 119, 4008.
66. Keeffe, J. R.; Gronert, S.; Colvin, M. E.; Tran, N. L. J. Am. Chem. Soc. 2003, 125, 11730.
67. Dodd, J. A.; Baer, S.; Moylan, C. R.; Brauman, J. I. J. Am. Chem. Soc. 1991, 113, 5942.
68. Kato, S.; Dang, T. T.; Barlow, S. E.; DePuy, C. H.; Bierbaum, V. M. Int. J. Mass Spectrom. 2000, 195/196, 625.
69. Lim, K. F.; Brauman, J. I. J. Chem. Phys. 1991, 94, 7164.
70. Riveros, J. M.; Ingemann, S.; Nibbering, N. M. M. J. Am. Chem. Soc. 1991, 113, 1053.
71. Wenthold, P. G.; Paulino, J. A.; Squires, R. R. J. Am. Chem. Soc. 1991, 113, 7414.
72. Wenthold, P. G.; Squires, R. R.; Lineberger, W. C. J. Am. Chem. Soc. 1998, 120, 5279.
73. Gunion, R. F.; Gilles, M. K.; Polak, M. L.; Lineberger, W. C. Int. J. Mass Spectrom. Ion Processes 1992, 117, 601.